Molecule

ID:134025

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃NO₁₀
Molecular Mass
341.31172
Exact Mass
341.13219594
Charge
0
InChI
InChI=1S/C12H21NO9.H2O/c1-5(15)13-8-6(16)3-12(20,11(19)21-2)22-10(8)9(18)7(17)4-14;/h6-10,14,16-18,20H,3-4H2,1-2H3,(H,13,15);1H2
InChIKey
UIUNVNKHJXXRLV-UHFFFAOYSA-N
Canonic Smiles
OCC(C(C1OC(O)(CC(C1NC(=O)C)O)C(=O)OC)O)O.O
Isomeric Smiles
CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)OC)O)O.O
Calculated Properties
JChem
Acid pKa
9.561499
H Acceptors
8
H Donor
6
LogD (pH = 5.5)
-3.4180818
LogD (pH = 7.4)
-3.4210243
Log P
-3.4180434
Molar Refractivity
68.5505
Polarizability
28.28038
Polar Surface Area
165.78
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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